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Compound Detail

CHEMBL212786

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CC(C)[C@@H](NCC(=O)O)C(=O)N[C@H](C(=O)NCc1ccc(C(=N)N)cc1)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212786
Phase Preclinical
Structure Type MOL
InChI Key SMNTXTQPDXQYIC-SXOMAYOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
2.60
ALogP
5
HBA
6
HBD
157.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N5O4
MW 529.64
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
16913694 10.1021/jm0606950 Prothrombin 1
16913694 10.1021/jm0606950 Vitamin K-dependent protein C 1

Data from ChEMBL 36 via Core Engine